SCHEMBL23400482

SCHEMBL23400482

CCCCc1c(CC(C)C)[nH]n(CC)c1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ TYMP P19971 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ DCTPP1 Q9H773 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23403315 0.90 — —
SCHEMBL23398984 0.89 PDE4A (0.34) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23403181 0.89 KDM4E (0.32) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23401658 0.89 KDM4E (0.32) KDM4ENPC1RAB9AFFAR1TYMP
SCHEMBL23398774 0.85 TYMP (0.36) KDM4ENPC1RAB9ATYMPPKM
SCHEMBL23400135 0.83 KDM4E (0.31) KDM4E
SCHEMBL23401863 0.83 TYMP (0.35) KDM4ENPC1RAB9ATYMPPKM
SCHEMBL23401933 0.83 TYMP (0.35) KDM4ENPC1RAB9ATYMPPKM
SCHEMBL23402818 0.83 PDE4A (0.34) —
SCHEMBL23401812 0.83 KDM4E (0.33) KDM4ENPC1RAB9AFFAR1TYMP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
Send feedback